CID 45799

63977-53-7

Structural Information

Molecular Formula
C11H18NO
SMILES
CC1=C(C(=C(C=C1)[N+](C)(C)C)C)O
InChI
InChI=1S/C11H17NO/c1-8-6-7-10(12(3,4)5)9(2)11(8)13/h6-7H,1-5H3/p+1
InChIKey
NAQWFRFTVLSDCV-UHFFFAOYSA-O
Compound name
(3-hydroxy-2,4-dimethylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.13884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14612 136.4
[M+Na]+ 203.12806 145.3
[M-H]- 179.13156 141.3
[M+NH4]+ 198.17266 157.2
[M+K]+ 219.10200 138.2
[M+H-H2O]+ 163.13610 134.5
[M+HCOO]- 225.13704 159.6
[M+CH3COO]- 239.15269 181.2
[M+Na-2H]- 201.11351 145.1
[M]+ 180.13829 136.7
[M]- 180.13939 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.